SCHEMBL5679470

SCHEMBL5679470

C[n+]1ccc(C=Cc2cc3c4c(c2)CCCN4CCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 5/20 0.43
▸ KMT2A Q03164 7/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ RAB9A P51151 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ MEN1 O00255 5/20 0.38
▸ GFER P55789 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 4/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL5676545 0.98 CHAT (0.45) CHATKMT2ARXFP1RAD52RAB9A
Iodide SCHEMBL6847802 0.98 CHAT (0.45) CHATKMT2ARXFP1RAD52RAB9A
SCHEMBL13989158 0.85 KMT2A (0.49) KMT2ARXFP1RAD52ALDH1A1KDM4E
SCHEMBL13989159 0.83 KMT2A (0.53) KMT2ARXFP1RAD52ALDH1A1KDM4E
SCHEMBL18102250 0.81 KDM4A (0.42) CHATKMT2ARXFP1RAD52RAB9A
SCHEMBL14392935 0.80 KMT2A (0.40) KMT2ARXFP1RAD52ALDH1A1KDM4E
SCHEMBL13428293 0.79 KMT2A (0.39) KMT2ARXFP1RAD52RAB9AALDH1A1
SCHEMBL10104165 0.79 KMT2A (0.39) KMT2ARXFP1RAD52ALDH1A1KDM4E
SCHEMBL16070432 0.78 CHKA (0.43) KMT2ARXFP1RAD52RAB9AALDH1A1
SCHEMBL18159321 0.78 KMT2A (0.45) KMT2ARXFP1RAD52RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200051-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2006-02-01 — — EP claimed
US-10024863-B2 Methods for dye selection for protein melt temperature determinations Life Technologies Corporation (US) 2018-07-17 — — US disclosed
US-20140315190-A1 METHODS FOR DYE SELECTION FOR PROTEIN MELT TEMPERATURE DETERMINATIONS Life Technologies Corporation 2014-10-23 — — US disclosed
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